Sugi Predict

Sugi Predict / Compounds / SCHEMBL250479

SCHEMBL250479

SCHEMBL250479

CCC(CC)Nc1cc(N)nc(Cl)n1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 1/20 0.40
▸ CRHR1 P34998 13/20 0.38
▸ DYRK3 O43781 1/20 0.34
▸ CCNT1 O60563 1/20 0.34
▸ CCNA2 P20248 1/20 0.34
▸ CDK2 P24941 1/20 0.34
▸ CDK9 P50750 1/20 0.34
▸ CDK5 Q00535 1/20 0.34
▸ DYRK1A Q13627 1/20 0.34
▸ CDK5R1 Q15078 1/20 0.34
▸ DYRK2 Q92630 1/20 0.34
▸ DYRK1B Q9Y463 1/20 0.34
▸ FYN P06241 1/20 0.34
▸ HCAR3 P49019 1/20 0.33
▸ HCAR2 Q8TDS4 1/20 0.33
▸ HRH4 Q9H3N8 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL252101 0.85 ESR1 (0.42) ESR1HCAR3HRH4
SCHEMBL12692695 0.85 ESR1 (0.42) ESR1HCAR3HRH4
SCHEMBL9925946 0.85 ESR1 (0.42) ESR1HCAR3HRH4
SCHEMBL251409 0.82 ESR1 (0.40) ESR1HRH4
SCHEMBL252097 0.82 ESR1 (0.40) ESR1HRH4
SCHEMBL179507 0.81 ESR1 (0.36) ESR1
SCHEMBL179513 0.81 ESR1 (0.36) ESR1
SCHEMBL179532 0.80 HRH4 (0.46) ESR1HRH4
SCHEMBL9884962 0.79 FYN (0.34) CRHR1FYNHCAR3HCAR2HRH4
SCHEMBL23287651 0.77 ESR1 (0.41) ESR1HRH4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120245169-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE LLC 2012-09-27 — — US disclosed
US-20120149701-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE, INC. 2012-06-14 — — US disclosed
US-8193182-B2 Substituted isoquinolin-1(2H)-ones, and methods of use thereof INTELLIKINE, INC. (US) 2012-06-05 — — US disclosed
US-20120059000-A1 CHEMICAL COMPOUNDS, COMPOSITIONS AND METHODS FOR KINASE MODULATION INFINITY PHARMACEUTICALS, INC. 2012-03-08 — — US disclosed
US-20090312319-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE 2009-12-17 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090312319-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, PIK3CG, PIK3CB ESR1 1215/4885CRHR1 4755/4885DYRK3 2960/4885
US-20120059000-A1 CHEMICAL COMPOUNDS, COMPOSITIONS AND METHODS FOR KINASE MODULATION MAP3K13, AKT3, PIK3CA ESR1 1648/4885CRHR1 4487/4885DYRK3 1129/4885
US-20120245169-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, PIK3CG, PIK3CB ESR1 1215/4885CRHR1 4755/4885DYRK3 2960/4885
US-20120149701-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, AKT3, PIK3C2A ESR1 1135/4885CRHR1 4793/4885DYRK3 2893/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.